Electron-Stimulated Emission of Na Atoms from NaCl Nanocube Corners
classification
❄️ cond-mat.mtrl-sci
cond-mat.dis-nn
keywords
cornernaclneutralatomatomicatomscalculationscomputed
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We performed first principles density functional calculations and simulations of magic-size neutral NaCl nanocubes, and computed the the extraction of a Na neutral corner atom after donating an electron. The atomic structure of the resulting Na corner vacancy is presented.
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